I found out something more about my problem, maybe you can help and maybe it can be helpful for the mailing list as well.
If I compile including transiesta features ($make transiesta), I get the error "MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT" in the tests. If I compile not including transiesta ($make siesta), the tests are running correctly. Going a little bit deeper in the problem, transiesta test is running but failing, the calculation of the scattering region differs significantly. Practically, I get errors only relating to TRANSIESTA, and I'm wondering if someone encountered a similar issue. I'm also wondering that the transiesta-enabled compilation can affect calculations without transport. Regards, Gabriele 2011/8/11 Gabriele Penazzi <g.pena...@gmail.com>: > Hi everybody, > > I'm trying to run siesta-3.0-rc2, and I'm not being able to run the tests. > I compiled using gfortran 4.6.1 or ifort 10.1, as suggested in mailing list. > > In several tests I get the following error (here showed for 1st test): > >>>>> Running 32_h2o test... > ==> Copying pseudopotential file for H_lyp... > ==> Copying pseudopotential file for O_lyp... > ==> Running SIESTA as ../../../Obj/siesta > MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT > ERROR STOP from Node: 0 > > > The only thing that I'm changing in the configure file is the > compiler, anything else is the default. I attach the arch.make file > for gfortran as an example. > I get the same problems with a different machine. With ifort 11 and 12 > I get different kind of errors, but as much as I can understand > reading the previous mails, I'd better stay on ifort 10.1 > > I'm having really strange results on a CNT-CNT system with transiesta, > and I'm wondering whether they can be related to some > compiler/numerical error. > > If there's any suggestion, or you can forward me to some similar > problem in the mailing list (i didn't really find something fitting), > I would really appreciate it. > > Gabriele Penazzi >
